Molecule ID: mol10214

SMILES: Cc1cc(=O)n(O)c(O)c1C

InChI: InChI=1S/C7H9NO3/c1-4-3-6(9)8(11)7(10)5(4)2/h3,10-11H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.05 AttenGpKa training set 0 » -1
10.35 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization